2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3CCCCC3

InChI

InChI=1S/C20H26N4O2S/c1-13(25)15-9-11-17(12-10-15)21-19(26)14(2)27-20-23-22-18(24(20)3)16-7-5-4-6-8-16/h9-12,14,16H,4-8H2,1-3H3,(H,21,26)